SCHEMBL3228471

SCHEMBL3228471

CC1=CC(C)(C)Nc2c1ccc1c2CCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CES1 P23141 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27492593 0.73 PGR (0.37) PGRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8024917 0.69 ALDH1A1 (0.56) PGRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7074032 0.69 KDM4E (0.61) PGRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6650129 0.68 ALDH1A1 (0.46) PGRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5504578 0.67 CES1 (0.46) PGRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3235003 0.65 PGR (0.40) PGRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL14144031 0.65 ALDH1A1 (0.50) PGRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10840500 0.64 ALDH1A1 (0.53) PGRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2251074 0.64 PARP1 (0.57) PARP1CES1
SCHEMBL10027162 0.63 PARP1 (0.41) PGRPARP1ALDH1A1KDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116538-B1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-27 — — EP disclosed
EP-2116538-B1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-27 — — EP disclosed
US-8367695-B2 Condensed tetrahydroquinoline derivative and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-05 — — US disclosed
US-8367695-B2 Condensed tetrahydroquinoline derivative and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-05 — — US disclosed
US-8367695-B2 Condensed tetrahydroquinoline derivative and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-05 — — US disclosed
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 — — US disclosed
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 — — US disclosed
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 — — US disclosed
EP-2116538-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-11-11 — — EP disclosed
EP-2116538-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-11-11 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES NR3C2, MC2R, NR5A1 PGR 11/4885PARP1 3721/4885ALDH1A1 2265/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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